(1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol

C14H20N4O2 — CID 159736641

IUPAC(1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol
SMILESCOC[C@H]1C[C@@H](n2c(C)nc3c(C)ncnc32)[C@@H](O)C1
InChIInChI=1S/C14H20N4O2/c1-8-13-14(16-7-15-8)18(9(2)17-13)11-4-10(6-20-3)5-12(11)19/h7,10-12,19H,4-6H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyWFRUEMHEUFVOAE-TUAOUCFPSA-N
MW276.34 g/mol
LogP1.40
Rot. Bonds3

About (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol

(1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol (PubChem CID 159736641) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol
PubChem CID159736641
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol
SMILESCOC[C@H]1C[C@@H](n2c(C)nc3c(C)ncnc32)[C@@H](O)C1
InChIInChI=1S/C14H20N4O2/c1-8-13-14(16-7-15-8)18(9(2)17-13)11-4-10(6-20-3)5-12(11)19/h7,10-12,19H,4-6H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyWFRUEMHEUFVOAE-TUAOUCFPSA-N
XLogP1.40
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol with MolForge

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Related Compounds

9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine
CID 167678513
(3R,4S,5R)-2-(6,8-dimethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59070010
(2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol
CID 59892718
(2R,5S)-2-(6,8-dimethylpurin-9-yl)-4-ethyl-5-(hydroxymethyl)oxolan-3-ol
CID 59892763
9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine
CID 158232421
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
6-chloro-9-cyclopropyl-8-methylpurine
CID 119027078
[(1S,13S,14R)-7-methyl-11-oxo-11λ4-thia-2,4,6,9-tetrazatetracyclo[11.2.1.02,10.03,8]hexadeca-3,5,7,9-tetraen-14-yl]methyl dihydrogen phosphate
CID 58681742
(9-cyclopentyl-8-methylpurin-6-yl)azanide
CID 145422877
[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 14853632
(1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol
CID 132942269
6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one
CID 146460566

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol?
The IUPAC name of (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol (CID 159736641) is (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol is COC[C@H]1C[C@@H](n2c(C)nc3c(C)ncnc32)[C@@H](O)C1.
What is the InChIKey of (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol?
The InChIKey is WFRUEMHEUFVOAE-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-8-13-14(16-7-15-8)18(9(2)17-13)11-4-10(6-20-3)5-12(11)19/h7,10-12,19H,4-6H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol?
(1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol has a molecular weight of 276.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 159736641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).